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- ChemComp-PXX: N-1,10-phenanthrolin-5-ylacetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: PXX
NameName: N-1,10-phenanthrolin-5-ylacetamide

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Chemical information

Composition
Formula: C14H11N3O / Number of atoms: 29 / Formula weight: 237.257 / Formal charge: 0
Others

3foo

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PXX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3FOO
History
Create componentJan 5, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(Nc2cc1cccnc1c3ncccc23)C
CACTVS 3.341CC(=O)Nc1cc2cccnc2c3ncccc13
OpenEye OEToolkits 1.5.0CC(=O)Nc1cc2cccnc2c3c1cccn3

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SMILES CANONICAL

CACTVS 3.341CC(=O)Nc1cc2cccnc2c3ncccc13
OpenEye OEToolkits 1.5.0CC(=O)Nc1cc2cccnc2c3c1cccn3

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InChI

InChI 1.03InChI=1S/C14H11N3O/c1-9(18)17-12-8-10-4-2-6-15-13(10)14-11(12)5-3-7-16-14/h2-8H,1H3,(H,17,18)

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InChIKey

InChI 1.03AAJXINSCZMZERD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-1,10-phenanthrolin-5-ylacetamide
OpenEye OEToolkits 1.5.0N-(1,10-phenanthrolin-5-yl)ethanamide

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PDB entries

Showing all 5 items

PDB-3foo:
A Triangular Cytochrome b562 Superstructure Mediated by Ni Coordination - Monoclinic Form

PDB-3fop:
A Triangular Cytochrome b562 Superstructure Mediated by Ni Coordination - Hexagonal Form

PDB-3nmi:
Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2

PDB-3nmj:
Crystal structure of a nickel mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2

PDB-3nmk:
Crystal structure of a zinc mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2

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